Molecule ID: mol34922
SMILES: CC1(C)SC(CNC(=O)Cc2ccccc2)N(C(=O)NCc2ccccc2)[C@@H]1C(=O)O
InChI: InChI=1S/C23H27N3O4S/c1-23(2)20(21(28)29)26(22(30)25-14-17-11-7-4-8-12-17)19(31-23)15-24-18(27)13-16-9-5-3-6-10-16/h3-12,19-20H,13-15H2,1-2H3,(H,24,27)(H,25,30)(H,28,29)/t19?,20-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.50 | QSARToolbox | 0 » -1 |